| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008401
BDB008401
|
BDBM206168
O=C(Nc1cc(Cl)ccc1O[C@H]1CC[C@H](O)CC1)c1csc2cncnc12
|
C19H18ClN3O3S 403.891000 |
MUYFQIQEBJQOGI-JOCQHMNTSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM206168
|
Local ready
Direct docking supported
|
|
E3L008402
BDB008402
|
BDBM206180
O=C(Nc1cc(Cl)ccc1OC1CCNCC1)c1csc2cccnc12
|
C19H18ClN3O2S 387.892000 |
PPIGWXNYCGUCMZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM206180; PubChem:CID86296954
|
Local ready
Direct docking supported
|
|
E3L008403
BDB008403
|
BDBM206763
C[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc(N3CCC4(CC3)C[C@H](CN3CCN5c6ccc7c(c6OC[C@@H]5C3)CN([C@@H]3CCC(=O)NC3=O)C7=O)CO4)nc2)N1CC(F)F
|
C45H51F2N9O5 835.957000 |
PLUMUKVJAXKYNF-MNYWOVTFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206763
|
Local ready
Direct docking supported
|
|
E3L008404
BDB008404
|
BDBM206764
C[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc(N3CCC4(CC3)C[C@@H](CN3CCN5c6ccc7c(c6OC[C@@H]5C3)CN([C@@H]3CCC(=O)NC3=O)C7=O)CO4)nc2)N1CC(F)F
|
C45H51F2N9O5 835.957000 |
PLUMUKVJAXKYNF-IECPXTLSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206764
|
Local ready
Direct docking supported
|
|
E3L008405
BDB008405
|
BDBM206765
C[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc(N3CCC4(CC3)C[C@H](CN3CCN5c6cc7c(cc6OC[C@H]5C3)C(=O)N([C@@H]3CCC(=O)NC3=O)C7)CO4)nc2)N1CC(F)F
|
C45H51F2N9O5 835.957000 |
ZUJQZWBFRDDBCA-DSZRHZNRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206765
|
Local ready
Direct docking supported
|
|
E3L008406
BDB008406
|
BDBM206766
C[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc(N3CCC4(CC3)C[C@@H](CN3CCN5c6cc7c(cc6OC[C@H]5C3)C(=O)N([C@@H]3CCC(=O)NC3=O)C7)CO4)nc2)N1CC(F)F
|
C45H51F2N9O5 835.957000 |
ZUJQZWBFRDDBCA-XMVOMNGBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206766
|
Local ready
Direct docking supported
|
|
E3L008407
BDB008407
|
BDBM206767
C[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(N3CCC(CN4CCN5c6ccc7c(c6OC[C@@H]5C4)CN([C@@H]4CCC(=O)NC4=O)C7=O)CC3)cn2)N1CC(F)(F)F
|
C43H47F3N8O4 796.895000 |
HAYVMVVVUBVUSG-LGMVKUESSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206767
|
Local ready
Direct docking supported
|
|
E3L008408
BDB008408
|
BDBM206768
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC4(CC3)C[C@@H](CN3CCN5c6ccc(C(=O)N[C@H]7CCC(=O)NC7=O)nc6OC[C@H]5C3)CO4)nc2)N1CC(F)F
|
C43H50F2N10O5 824.934000 |
YNHWAMPKCMEBHW-XGDKUVCVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206768
|
Local ready
Direct docking supported
|
|
E3L008409
BDB008409
|
BDBM206852
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3cc(N(C)C)ccc3OC(F)(F)F)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C29H28F6N6O3 622.570000 |
MDYMIWRMKQOBMI-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM206852; PubChem:CID77847121
|
Local ready
Direct docking supported
|
|
E3L008410
BDB008410
|
BDBM207556
O=C1NN=C2CCCc3[nH]c4cccc1c4c32
|
C13H11N3O 225.251000 |
GGJVOTFHPYZESL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207556; PubChem:CID136242890
|
Local ready
Direct docking supported
|
|
E3L008411
BDB008411
|
BDBM207557
O=C1NN=C2CCCCc3[nH]c4cccc1c4c32
|
C14H13N3O 239.278000 |
FLCHMGRFSJQORK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207557; PubChem:CID136242891
|
Local ready
Direct docking supported
|
|
E3L008412
BDB008412
|
BDBM207558
CC1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C14H13N3O 239.278000 |
MLYYYJSVHUVZHH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207558; PubChem:CID136242892
|
Local ready
Direct docking supported
|
|
E3L008413
BDB008413
|
BDBM207559
CC1(C)CCc2[nH]c3cccc4c3c2C1=NNC4=O
|
C15H15N3O 253.305000 |
WCAMYOIGSKFYKH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207559; PubChem:CID136242893
|
Local ready
Direct docking supported
|
|
E3L008414
BDB008414
|
BDBM207560
O=C1NN=C2CC(c3ccccc3)Cc3[nH]c4cccc1c4c32
|
C19H15N3O 301.349000 |
JFJGQBKALIOSDA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207560; PubChem:CID136242894
|
Local ready
Direct docking supported
|
|
E3L008415
BDB008415
|
BDBM207561
CC(C)C1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C16H17N3O 267.332000 |
WELSPTLZWKCYMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207561; PubChem:CID136242895
|
Local ready
Direct docking supported
|
|
E3L008416
BDB008416
|
BDBM207562
O=C1NN=C2CCCc3[nH]c4cc(F)cc1c4c32
|
C13H10FN3O 243.241000 |
YKIBUJVDRWECHV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207562; PubChem:CID136242896
|
Local ready
Direct docking supported
|
|
E3L008417
BDB008417
|
BDBM207563
O=C1NN=C2CCCCc3[nH]c4cc(F)cc1c4c32
|
C14H12FN3O 257.268000 |
LIYLVRUTQRQGPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207563; PubChem:CID136242897
|
Local ready
Direct docking supported
|
|
E3L008418
BDB008418
|
BDBM207564
CC1(C)CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C15H14FN3O 271.295000 |
MHQFEYXRRZRKBA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207564; PubChem:CID136242898
|
Local ready
Direct docking supported
|
|
E3L008419
BDB008419
|
BDBM207565
O=C1NN=C2CC(c3ccccc3)Cc3[nH]c4cc(F)cc1c4c32
|
C19H14FN3O 319.339000 |
IZSILESJFBWTKL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207565; PubChem:CID136242899
|
Local ready
Direct docking supported
|
|
E3L008420
BDB008420
|
BDBM207566
CC(C)C1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C16H16FN3O 285.322000 |
ISQUAVJORRNWGA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207566; PubChem:CID136242900
|
Local ready
Direct docking supported
|